Information card for entry 2243898

Structure parameters

• Chemical name: (<i>Z</i>)-2-Amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
• Formula: C20 H15 Cl2 N3 O2
• Calculated formula: C20 H15 Cl2 N3 O2
• SMILES: Clc1c(C2C(=C(\O)C)\C(=O)N(C(=C2C#N)N)c2ccccc2)c(Cl)ccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
• Authors of publication: Naghiyev, Farid N.; Pavlova, Anastasiya V.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 9.662 ± 0.001 Å
• b: 27.01 ± 0.003 Å
• c: 7.4782 ± 0.0008 Å
• α: 90°
• β: 111.571 ± 0.002°
• γ: 90°
• Cell volume: 1814.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes